tert-butyl 4-[methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N(C)CC(=O)NC2=CC=CC=C2SC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N(C)CC(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C21H31N3O4S/c1-21(2,3)28-20(27)24-12-10-15(11-13-24)19(26)23(4)14-18(25)22-16-8-6-7-9-17(16)29-5/h6-9,15H,10-14H2,1-5H3,(H,22,25)